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87883-51-0 | 2-Cyclohexen-1-one, 3-[methyl(3-methyl-2-butenyl)amino]-
CAS No: 87883-51-0 Catalog No: AG004E7B MDL No:
Product Description
Catalog Number:
AG004E7B
Chemical Name:
2-Cyclohexen-1-one, 3-[methyl(3-methyl-2-butenyl)amino]-
CAS Number:
87883-51-0
Molecular Formula:
C12H19NO
Molecular Weight:
193.2854
IUPAC Name:
3-[methyl(3-methylbut-2-enyl)amino]cyclohex-2-en-1-one
InChI:
InChI=1S/C12H19NO/c1-10(2)7-8-13(3)11-5-4-6-12(14)9-11/h7,9H,4-6,8H2,1-3H3
InChI Key:
ASDHLZNIGVBCFR-UHFFFAOYSA-N
SMILES:
CN(C1=CC(=O)CCC1)CC=C(C)C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.147g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.29g/mol
Monoisotopic Mass:
193.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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